Ergogaline, a new ergot alkaloid, produced by Claviceps purpurea: isolation, identification, crystal structure and molecular conformation

Abstract

A new peptide ergot alkaloid containing L-homoisoleucine has been isolated from ergot sclerotia of the field-growing parasitic fungus Claviceps purpurea. The molecular and crystal structures have been studied by X-ray analysis [ergogaline monohydrate, monoclinic space group P2₁ with two molecules per unit cell of the dimensions a= 9.972(1), b= 10.902(1) and c= 14.761 (1)Å, β= 94.05(1)°] and compared with the structures in solution as determined by 2D NMR spectroscopy.